| SpectraBase Compound ID | 5S9HIXyHBMA |
|---|---|
| InChI | InChI=1S/C15H21NO4S/c1-11(2)20-15(18)16-13(14(17)19-3)10-21-9-12-7-5-4-6-8-12/h4-8,11,13H,9-10H2,1-3H3,(H,16,18) |
| InChIKey | WSYPYUFSXMDQCN-UHFFFAOYSA-N |
| Mol Weight | 311.4 g/mol |
| Molecular Formula | C15H21NO4S |
| Exact Mass | 311.119129 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1hT8XWa3Fi3 |
|---|---|
| Name | S-Benzyl-N-isopropyloxycarbonyl-L-cysteine, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 311.119129330 u |
| Formula | C15H21NO4S |
| InChI | InChI=1S/C15H21NO4S/c1-11(2)20-15(18)16-13(14(17)19-3)10-21-9-12-7-5-4-6-8-12/h4-8,11,13H,9-10H2,1-3H3,(H,16,18) |
| InChIKey | WSYPYUFSXMDQCN-UHFFFAOYSA-N |
| Molecular Weight | 311.396 g/mol |
| SMILES | C1(=CC=CC=C1)CSCC(NC(OC(C)C)=O)C(OC)=O |